N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C25H32ClN3O4S MolecularWeight: 506.05728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3

InChI

InChI=1S/C25H32ClN3O4S/c1-4-31-20-15-17(16-21(32-5-2)23(20)33-6-3)24(30)28-25(34)27-19-12-10-11-18(26)22(19)29-13-8-7-9-14-29/h10-12,15-16H,4-9,13-14H2,1-3H3,(H2,27,28,30,34)